2-ethylhexyloxypropylamine - ≥99% , CAS No.5397-31-9

CAS: 5397-31-9 Cat. No.: E113066 Formule: C₁₁H₂₅NO Poids moléculaire: 187.3 Numéro CE: 226-420-6

GRADE & PURITY ≥99%

Synonyms

UNII-N09409V116 | 3-(2-Ethylhexyloxy)propylamine | 3-(2-Ethylhexyloxy)-propylamine | 3-[(2-Ethylhexyl)oxy]propylamine | NCGC00091627-01 | AKOS009159536 | CAS-5397-31-9 | AMY21833 | PA 12EH | NSC1078 | NSC-1078 | 2-(Ethylhexyloxy)propylamine | 3-(2-Ethylhe

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

UNII-N09409V116 | 3-(2-Ethylhexyloxy)propylamine | 3-(2-Ethylhexyloxy)-propylamine | 3-[(2-Ethylhexyl)oxy]propylamine | NCGC00091627-01 | AKOS009159536 | CAS-5397-31-9 | AMY21833 | PA 12EH | NSC1078 | NSC-1078 | 2-(Ethylhexyloxy)propylamine | 3-(2-Ethylhe

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 488182700
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182700
• Sourires canoniques: CCCCC(CC)COCCCN
• IUPAC Name: 3-(2-ethylhexoxy)propan-1-amine
• InChIKey: DVFGEIYOLIFSRX-UHFFFAOYSA-N
• INCHI: 1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3
• Isomères SMILES: CCCCC(CC)COCCCN
• WGK Allemagne: 3
• RTECS: UI2820000
• Numéro ONU: 2810
• Groupe d'emballage: I
• Poids moléculaire: 187.3
• Reaxy-Rn: 1740535
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740535&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Indice de réfraction: 1.438
• Point d'éclair (°F): 103℃
• Point d'éclair (°C): 103℃
• Point d'ébullition (°C): 152°C
• Poids moléculaire: 187.320 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 187.194 Da
• Monoisotopic Mass: 187.194 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 96.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5397-31-9, the molecular formula is C11H25NO, and the molecular weight is 187.3 g/mol. InChIKey DVFGEIYOLIFSRX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.